3-[2-(4-chlorophenyl)ethanoyl-prop-2-enyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-(4-chlorophenyl)ethanoyl-prop-2-enyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl-[2-(4-chlorophenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(4-chlorophenyl)-1-oxoethyl]-prop-2-enylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(4-chlorophenyl)acetyl]-prop-2-enylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl-[2-(4-chlorophenyl)acetyl]amino]-5-phenyl-2-thenoic acid Formula: C22H18ClNO3S MolecularWeight: 411.90122

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClNO3S/c1-2-12-24(20(25)13-15-8-10-17(23)11-9-15)18-14-19(28-21(18)22(26)27)16-6-4-3-5-7-16/h2-11,14H,1,12-13H2,(H,26,27)